Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C25H21N.ClH/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-19H,26H2;1H |
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SMILES | [NH3+]c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-] |
InChI Key | GGYQDMHUVMIEFM-UHFFFAOYSA-N |
Molecular Formula | C25H22ClN |
Exact Mass | 371.902 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/GGYQDMHUVMIEFM-UHFFFAOYSA-N/CHMO0000593 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GGYQDMHUVMIEFM-UHFFFAOYSA-N/CHMO0000593 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:00:48.920380 |
MetadataModified | 2024-09-08T02:00:48.920384 |
MetadataPublished | 2023-11-24 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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146019163 | PubChem |
751021 | eMolecules |
CHEMBL1992106 | ChEMBL |
MolPort-044-567-475 | MolPort |
361283 | PubChem |
The data in this table is sourced from UniChem at EBI. |